On Wed, 2009-03-18 at 16:59 +0800, Jeffrey wrote:
> Dear amber users,
>
> After about 5ns NPT simulation, the protein protruded from the unit cell.
> the ligand in one protein of the dimmer run away from the binding pocket
> ntb = 2
You need to understand periodic boundary conditions. Have a look at the
iwrap option.
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Received on Fri Mar 20 2009 - 01:07:15 PDT
